7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H18N6O3S — CID 2438355

IUPAC7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nn12
InChIInChI=1S/C17H18N6O3S/c1-12-8-9-18-17-20-15(21-23(12)17)16(24)19-13-4-6-14(7-5-13)27(25,26)22-10-2-3-11-22/h4-9H,2-3,10-11H2,1H3,(H,19,24)
InChIKeyRXAPQWUQSHEKCL-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.47
Rot. Bonds4

About 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2438355) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2438355
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nn12
InChIInChI=1S/C17H18N6O3S/c1-12-8-9-18-17-20-15(21-23(12)17)16(24)19-13-4-6-14(7-5-13)27(25,26)22-10-2-3-11-22/h4-9H,2-3,10-11H2,1H3,(H,19,24)
InChIKeyRXAPQWUQSHEKCL-UHFFFAOYSA-N
XLogP1.47
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2438355) is 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nn12.
What is the InChIKey of 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RXAPQWUQSHEKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-12-8-9-18-17-20-15(21-23(12)17)16(24)19-13-4-6-14(7-5-13)27(25,26)22-10-2-3-11-22/h4-9H,2-3,10-11H2,1H3,(H,19,24).
What are the key properties of 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2438355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).